5-fluoro-4-N,4-N-dimethyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine

C24H30FN7O2 — CID 90454064

IUPAC5-fluoro-4-N,4-N-dimethyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine
SMILESCN(C)c1nc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ncc1F
InChIInChI=1S/C24H30FN7O2/c1-31(2)23-19(25)15-28-24(30-23)29-16-3-5-18(6-4-16)34-21-14-17(32-9-11-33-12-10-32)13-20-22(21)27-8-7-26-20/h7-8,13-16,18H,3-6,9-12H2,1-2H3,(H,28,29,30)
InChIKeyJLAOGWPWBSXVSE-UHFFFAOYSA-N
MW467.55 g/mol
LogP3.26
Rot. Bonds6

About 5-fluoro-4-N,4-N-dimethyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine

5-fluoro-4-N,4-N-dimethyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine (PubChem CID 90454064) has the molecular formula C24H30FN7O2 and a molecular weight of 467.55 g/mol. Its IUPAC name is 5-fluoro-4-N,4-N-dimethyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N,4-N-dimethyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine
PubChem CID90454064
Molecular FormulaC24H30FN7O2
Molecular Weight467.55 g/mol
Exact Mass467.24
IUPAC Name5-fluoro-4-N,4-N-dimethyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine
SMILESCN(C)c1nc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ncc1F
InChIInChI=1S/C24H30FN7O2/c1-31(2)23-19(25)15-28-24(30-23)29-16-3-5-18(6-4-16)34-21-14-17(32-9-11-33-12-10-32)13-20-22(21)27-8-7-26-20/h7-8,13-16,18H,3-6,9-12H2,1-2H3,(H,28,29,30)
InChIKeyJLAOGWPWBSXVSE-UHFFFAOYSA-N
XLogP3.26
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N,4-N-dimethyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N,4-N-dimethyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine (CID 90454064) is 5-fluoro-4-N,4-N-dimethyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N,4-N-dimethyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N,4-N-dimethyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine is CN(C)c1nc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ncc1F.
What is the InChIKey of 5-fluoro-4-N,4-N-dimethyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine?
The InChIKey is JLAOGWPWBSXVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN7O2/c1-31(2)23-19(25)15-28-24(30-23)29-16-3-5-18(6-4-16)34-21-14-17(32-9-11-33-12-10-32)13-20-22(21)27-8-7-26-20/h7-8,13-16,18H,3-6,9-12H2,1-2H3,(H,28,29,30).
What are the key properties of 5-fluoro-4-N,4-N-dimethyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine?
5-fluoro-4-N,4-N-dimethyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine has a molecular weight of 467.55 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N,4-N-dimethyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 90454064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).